化学生物学

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  1. 马西替坦原料药杂质B
      规格或纯度 :
    • ≥98%
    CAS号 : 441798-25-0        Compound CID : 21041267
    分子式: C17H16Br2N6O4S        分子量: 557.93
    IUPAC Name: 5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(methylsulfamoyl)pyrimidin-4-amine
    SMILES: CNS(=O)(=O)NC1=C(C(=NC=N1)OCCOC2=NC=C(C=N2)Br)C3=CC=C(C=C3)Br
    InChIKey: BRSITRUZDCGGKH-UHFFFAOYSA-N
    InChI: InChI=1S/C17H16Br2N6O4S/c1-20-30(26,27)25-15-14(11-2-4-12(18)5-3-11)16(24-10-23-15)28-6-7-29-17-21-8-13(19)9-22-17/h2-5,8-10,20H,6-7H2,1H3,(H,23,24,25)
  2. SB 242084
    CAS号 : 181632-25-7        Compound CID : 16219981
    分子式: C21H19ClN4O2        分子量: 394.85
    IUPAC Name: 6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide;dihydrochloride
    SMILES: CC1=CC2=C(C=C1Cl)N(CC2)C(=O)NC3=CN=C(C=C3)OC4=C(N=CC=C4)C.Cl.Cl
    InChIKey: GCMNSEILNIPNSX-UHFFFAOYSA-N
    InChI: InChI=1S/C21H19ClN4O2.2ClH/c1-13-10-15-7-9-26(18(15)11-17(13)22)21(27)25-16-5-6-20(24-12-16)28-19-4-3-8-23-14(19)2;;/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,27);2*1H
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